data_25905 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2) ; _BMRB_accession_number 25905 _BMRB_flat_file_name bmr25905.str _Entry_type original _Submission_date 2015-11-23 _Accession_date 2015-11-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Xiao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 417 "13C chemical shifts" 292 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-17 original BMRB . stop_ _Original_release_date 2016-11-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Xiao . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12723.368 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MSKNERDTSFNKNGCLVFVS RLWDLDKLGMFHHPVSAEEL PDYHTVIKRPVDLSSIRDGI EKGTYATDVDVQNDVARMIT NALEYNAKGSTWYQEAMSFR KTYLDLARQSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 LYS 4 4 ASN 5 5 GLU 6 6 ARG 7 7 ASP 8 8 THR 9 9 SER 10 10 PHE 11 11 ASN 12 12 LYS 13 13 ASN 14 14 GLY 15 15 CYS 16 16 LEU 17 17 VAL 18 18 PHE 19 19 VAL 20 20 SER 21 21 ARG 22 22 LEU 23 23 TRP 24 24 ASP 25 25 LEU 26 26 ASP 27 27 LYS 28 28 LEU 29 29 GLY 30 30 MET 31 31 PHE 32 32 HIS 33 33 HIS 34 34 PRO 35 35 VAL 36 36 SER 37 37 ALA 38 38 GLU 39 39 GLU 40 40 LEU 41 41 PRO 42 42 ASP 43 43 TYR 44 44 HIS 45 45 THR 46 46 VAL 47 47 ILE 48 48 LYS 49 49 ARG 50 50 PRO 51 51 VAL 52 52 ASP 53 53 LEU 54 54 SER 55 55 SER 56 56 ILE 57 57 ARG 58 58 ASP 59 59 GLY 60 60 ILE 61 61 GLU 62 62 LYS 63 63 GLY 64 64 THR 65 65 TYR 66 66 ALA 67 67 THR 68 68 ASP 69 69 VAL 70 70 ASP 71 71 VAL 72 72 GLN 73 73 ASN 74 74 ASP 75 75 VAL 76 76 ALA 77 77 ARG 78 78 MET 79 79 ILE 80 80 THR 81 81 ASN 82 82 ALA 83 83 LEU 84 84 GLU 85 85 TYR 86 86 ASN 87 87 ALA 88 88 LYS 89 89 GLY 90 90 SER 91 91 THR 92 92 TRP 93 93 TYR 94 94 GLN 95 95 GLU 96 96 ALA 97 97 MET 98 98 SER 99 99 PHE 100 100 ARG 101 101 LYS 102 102 THR 103 103 TYR 104 104 LEU 105 105 ASP 106 106 LEU 107 107 ALA 108 108 ARG 109 109 GLN 110 110 SER 111 111 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity kinetoplastids 5691 Eukaryota . Trypanosoma brucei stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET-22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.479 0.02 . 2 2 2 SER HB2 H 3.895 0.02 . 3 2 2 SER CA C 58.201 0.2 . 4 2 2 SER CB C 63.944 0.2 . 5 3 3 LYS H H 8.372 0.02 . 6 3 3 LYS HA H 4.302 0.02 . 7 3 3 LYS HB2 H 1.770 0.02 . 8 3 3 LYS HG2 H 1.383 0.02 . 9 3 3 LYS HE2 H 2.946 0.02 . 10 3 3 LYS CA C 56.824 0.2 . 11 3 3 LYS CB C 33.020 0.2 . 12 3 3 LYS CG C 24.667 0.2 . 13 3 3 LYS CD C 29.183 0.2 . 14 3 3 LYS CE C 42.596 0.2 . 15 3 3 LYS N N 122.735 0.2 . 16 4 4 ASN H H 8.602 0.02 . 17 4 4 ASN HA H 4.649 0.02 . 18 4 4 ASN HB2 H 2.776 0.02 . 19 4 4 ASN CA C 53.347 0.2 . 20 4 4 ASN CB C 38.932 0.2 . 21 4 4 ASN N N 120.046 0.2 . 22 5 5 GLU H H 8.438 0.02 . 23 5 5 GLU HA H 4.242 0.02 . 24 5 5 GLU HB2 H 2.000 0.02 . 25 5 5 GLU HG2 H 2.216 0.02 . 26 5 5 GLU CA C 56.936 0.2 . 27 5 5 GLU CB C 30.339 0.2 . 28 5 5 GLU CG C 36.259 0.2 . 29 5 5 GLU N N 121.760 0.2 . 30 6 6 ARG H H 8.356 0.02 . 31 6 6 ARG HA H 4.288 0.02 . 32 6 6 ARG HB2 H 1.788 0.02 . 33 6 6 ARG HG2 H 1.586 0.02 . 34 6 6 ARG HD2 H 3.151 0.02 . 35 6 6 ARG CA C 56.283 0.2 . 36 6 6 ARG CB C 30.593 0.2 . 37 6 6 ARG CG C 26.883 0.2 . 38 6 6 ARG CD C 43.362 0.2 . 39 6 6 ARG N N 120.975 0.2 . 40 7 7 ASP H H 8.388 0.02 . 41 7 7 ASP HA H 4.654 0.02 . 42 7 7 ASP HB2 H 2.711 0.02 . 43 7 7 ASP CA C 54.654 0.2 . 44 7 7 ASP CB C 41.219 0.2 . 45 7 7 ASP N N 121.521 0.2 . 46 8 8 THR H H 8.148 0.02 . 47 8 8 THR HA H 4.436 0.02 . 48 8 8 THR HG2 H 1.160 0.02 . 49 8 8 THR CA C 61.387 0.2 . 50 8 8 THR CB C 69.623 0.2 . 51 8 8 THR CG2 C 21.337 0.2 . 52 8 8 THR N N 113.888 0.2 . 53 9 9 SER H H 8.400 0.02 . 54 9 9 SER HA H 4.482 0.02 . 55 9 9 SER HB2 H 3.906 0.02 . 56 9 9 SER CA C 59.079 0.2 . 57 9 9 SER CB C 64.154 0.2 . 58 9 9 SER N N 117.862 0.2 . 59 10 10 PHE H H 8.319 0.02 . 60 10 10 PHE CA C 55.526 0.2 . 61 10 10 PHE CB C 41.210 0.2 . 62 10 10 PHE N N 124.125 0.2 . 63 11 11 ASN HA H 4.617 0.02 . 64 11 11 ASN HB2 H 3.083 0.02 . 65 11 11 ASN HB3 H 2.778 0.02 . 66 11 11 ASN HD21 H 7.557 0.02 . 67 11 11 ASN CA C 50.779 0.2 . 68 11 11 ASN CB C 37.108 0.2 . 69 11 11 ASN ND2 N 111.574 0.2 . 70 12 12 LYS H H 7.891 0.02 . 71 12 12 LYS HA H 2.998 0.02 . 72 12 12 LYS HB2 H 1.643 0.02 . 73 12 12 LYS HG2 H 1.104 0.02 . 74 12 12 LYS HD2 H 1.691 0.02 . 75 12 12 LYS CA C 60.936 0.2 . 76 12 12 LYS CB C 32.665 0.2 . 77 12 12 LYS CG C 24.758 0.2 . 78 12 12 LYS N N 125.928 0.2 . 79 13 13 ASN H H 8.658 0.02 . 80 13 13 ASN HA H 4.298 0.02 . 81 13 13 ASN HB2 H 2.716 0.02 . 82 13 13 ASN HD21 H 6.920 0.02 . 83 13 13 ASN CA C 56.575 0.2 . 84 13 13 ASN CB C 37.894 0.2 . 85 13 13 ASN N N 115.119 0.2 . 86 13 13 ASN ND2 N 113.173 0.2 . 87 14 14 GLY H H 7.767 0.02 . 88 14 14 GLY HA2 H 3.868 0.02 . 89 14 14 GLY HA3 H 3.464 0.02 . 90 14 14 GLY CA C 47.721 0.2 . 91 14 14 GLY N N 108.366 0.2 . 92 15 15 CYS H H 8.323 0.02 . 93 15 15 CYS HA H 4.231 0.02 . 94 15 15 CYS HB2 H 3.146 0.02 . 95 15 15 CYS HB3 H 2.504 0.02 . 96 15 15 CYS CA C 65.697 0.2 . 97 15 15 CYS CB C 26.602 0.2 . 98 15 15 CYS N N 120.383 0.2 . 99 16 16 LEU H H 8.126 0.02 . 100 16 16 LEU HA H 4.074 0.02 . 101 16 16 LEU HB2 H 2.056 0.02 . 102 16 16 LEU HB3 H 1.424 0.02 . 103 16 16 LEU HD1 H 0.879 0.02 . 104 16 16 LEU CA C 58.346 0.2 . 105 16 16 LEU CB C 41.010 0.2 . 106 16 16 LEU CG C 25.497 0.2 . 107 16 16 LEU CD1 C 23.329 0.2 . 108 16 16 LEU CD2 C 20.825 0.2 . 109 16 16 LEU N N 120.420 0.2 . 110 17 17 VAL H H 8.360 0.02 . 111 17 17 VAL HA H 3.647 0.02 . 112 17 17 VAL HB H 2.330 0.02 . 113 17 17 VAL HG2 H 1.024 0.02 . 114 17 17 VAL CA C 66.885 0.2 . 115 17 17 VAL CB C 31.753 0.2 . 116 17 17 VAL CG1 C 23.068 0.2 . 117 17 17 VAL CG2 C 21.132 0.2 . 118 17 17 VAL N N 123.733 0.2 . 119 18 18 PHE H H 8.552 0.02 . 120 18 18 PHE HA H 4.474 0.02 . 121 18 18 PHE HB2 H 3.472 0.02 . 122 18 18 PHE CA C 59.090 0.2 . 123 18 18 PHE CB C 39.585 0.2 . 124 18 18 PHE N N 121.885 0.2 . 125 19 19 VAL H H 8.150 0.02 . 126 19 19 VAL HA H 3.264 0.02 . 127 19 19 VAL HB H 2.094 0.02 . 128 19 19 VAL HG2 H 0.922 0.02 . 129 19 19 VAL CA C 67.236 0.2 . 130 19 19 VAL CB C 31.439 0.2 . 131 19 19 VAL N N 116.866 0.2 . 132 20 20 SER H H 8.154 0.02 . 133 20 20 SER HA H 4.155 0.02 . 134 20 20 SER HB2 H 3.988 0.02 . 135 20 20 SER HB3 H 3.988 0.02 . 136 20 20 SER CA C 62.654 0.2 . 137 20 20 SER N N 116.718 0.2 . 138 21 21 ARG H H 8.517 0.02 . 139 21 21 ARG HA H 4.197 0.02 . 140 21 21 ARG HB2 H 2.044 0.02 . 141 21 21 ARG HB3 H 1.809 0.02 . 142 21 21 ARG HD2 H 3.115 0.02 . 143 21 21 ARG HE H 7.220 0.02 . 144 21 21 ARG CA C 58.669 0.2 . 145 21 21 ARG CB C 29.901 0.2 . 146 21 21 ARG CG C 27.152 0.2 . 147 21 21 ARG CD C 42.818 0.2 . 148 21 21 ARG N N 122.066 0.2 . 149 22 22 LEU H H 7.962 0.02 . 150 22 22 LEU HA H 3.757 0.02 . 151 22 22 LEU HB2 H 2.023 0.02 . 152 22 22 LEU HB3 H 1.138 0.02 . 153 22 22 LEU HG H 1.982 0.02 . 154 22 22 LEU HD2 H 0.422 0.02 . 155 22 22 LEU CA C 57.837 0.2 . 156 22 22 LEU CB C 42.262 0.2 . 157 22 22 LEU CG C 26.919 0.2 . 158 22 22 LEU CD2 C 22.700 0.2 . 159 22 22 LEU N N 120.129 0.2 . 160 23 23 TRP H H 8.846 0.02 . 161 23 23 TRP HA H 3.622 0.02 . 162 23 23 TRP HB2 H 3.250 0.02 . 163 23 23 TRP HE1 H 9.178 0.02 . 164 23 23 TRP CA C 61.889 0.2 . 165 23 23 TRP CB C 28.090 0.2 . 166 23 23 TRP N N 119.889 0.2 . 167 23 23 TRP NE1 N 131.050 0.2 . 168 24 24 ASP H H 7.946 0.02 . 169 24 24 ASP HA H 4.551 0.02 . 170 24 24 ASP HB2 H 2.751 0.02 . 171 24 24 ASP CA C 56.694 0.2 . 172 24 24 ASP CB C 40.935 0.2 . 173 24 24 ASP N N 118.120 0.2 . 174 25 25 LEU H H 7.779 0.02 . 175 25 25 LEU HA H 4.169 0.02 . 176 25 25 LEU HB2 H 1.640 0.02 . 177 25 25 LEU HD1 H 0.750 0.02 . 178 25 25 LEU HD2 H 0.502 0.02 . 179 25 25 LEU CA C 56.130 0.2 . 180 25 25 LEU CB C 42.779 0.2 . 181 25 25 LEU CG C 27.031 0.2 . 182 25 25 LEU CD1 C 23.933 0.2 . 183 25 25 LEU CD2 C 20.987 0.2 . 184 25 25 LEU N N 120.219 0.2 . 185 26 26 ASP H H 7.576 0.02 . 186 26 26 ASP HA H 4.832 0.02 . 187 26 26 ASP HB2 H 2.944 0.02 . 188 26 26 ASP CA C 51.875 0.2 . 189 26 26 ASP CB C 39.658 0.2 . 190 26 26 ASP N N 118.912 0.2 . 191 27 27 LYS H H 7.874 0.02 . 192 27 27 LYS CA C 58.093 0.2 . 193 27 27 LYS CB C 32.293 0.2 . 194 27 27 LYS N N 126.220 0.2 . 195 28 28 LEU HA H 4.109 0.02 . 196 28 28 LEU HB2 H 1.286 0.02 . 197 28 28 LEU HG H 1.512 0.02 . 198 28 28 LEU HD1 H 0.683 0.02 . 199 28 28 LEU HD2 H 0.558 0.02 . 200 28 28 LEU CA C 55.009 0.2 . 201 28 28 LEU CB C 41.765 0.2 . 202 28 28 LEU CG C 28.000 0.2 . 203 28 28 LEU CD1 C 25.983 0.2 . 204 28 28 LEU CD2 C 21.727 0.2 . 205 29 29 GLY H H 7.291 0.02 . 206 29 29 GLY CA C 45.767 0.2 . 207 29 29 GLY N N 110.548 0.2 . 208 30 30 MET H H 8.457 0.02 . 209 30 30 MET HA H 3.665 0.02 . 210 30 30 MET HB2 H 1.480 0.02 . 211 30 30 MET CA C 57.567 0.2 . 212 30 30 MET CB C 31.869 0.2 . 213 30 30 MET CG C 29.434 0.2 . 214 30 30 MET N N 121.581 0.2 . 215 31 31 PHE H H 10.538 0.02 . 216 31 31 PHE HA H 4.970 0.02 . 217 31 31 PHE HB2 H 3.761 0.02 . 218 31 31 PHE HB3 H 2.440 0.02 . 219 31 31 PHE CA C 56.453 0.2 . 220 31 31 PHE CB C 39.376 0.2 . 221 31 31 PHE N N 123.012 0.2 . 222 32 32 HIS H H 6.500 0.02 . 223 32 32 HIS HA H 3.708 0.02 . 224 32 32 HIS HB2 H 2.438 0.02 . 225 32 32 HIS HB3 H 2.006 0.02 . 226 32 32 HIS CA C 57.674 0.2 . 227 32 32 HIS CB C 31.586 0.2 . 228 32 32 HIS N N 117.612 0.2 . 229 33 33 HIS H H 8.256 0.02 . 230 33 33 HIS CB C 42.106 0.2 . 231 33 33 HIS N N 114.240 0.2 . 232 34 34 PRO HA H 4.334 0.02 . 233 34 34 PRO HB2 H 1.720 0.02 . 234 34 34 PRO HB3 H 2.295 0.02 . 235 34 34 PRO HG2 H 2.087 0.02 . 236 34 34 PRO CA C 62.692 0.2 . 237 34 34 PRO CB C 31.967 0.2 . 238 34 34 PRO CG C 27.457 0.2 . 239 34 34 PRO CD C 51.167 0.2 . 240 35 35 VAL H H 8.429 0.02 . 241 35 35 VAL HA H 3.621 0.02 . 242 35 35 VAL HB H 1.281 0.02 . 243 35 35 VAL HG1 H 0.293 0.02 . 244 35 35 VAL CA C 62.897 0.2 . 245 35 35 VAL CB C 32.334 0.2 . 246 35 35 VAL CG1 C 21.104 0.2 . 247 35 35 VAL N N 124.101 0.2 . 248 36 36 SER H H 8.665 0.02 . 249 36 36 SER HA H 4.477 0.02 . 250 36 36 SER HB2 H 3.984 0.02 . 251 36 36 SER HB3 H 3.778 0.02 . 252 36 36 SER CA C 56.878 0.2 . 253 36 36 SER CB C 63.981 0.2 . 254 36 36 SER N N 122.295 0.2 . 255 37 37 ALA H H 8.926 0.02 . 256 37 37 ALA HA H 4.103 0.02 . 257 37 37 ALA HB H 1.348 0.02 . 258 37 37 ALA CA C 53.958 0.2 . 259 37 37 ALA CB C 18.481 0.2 . 260 37 37 ALA N N 130.225 0.2 . 261 38 38 GLU H H 7.994 0.02 . 262 38 38 GLU HA H 3.979 0.02 . 263 38 38 GLU HB2 H 1.904 0.02 . 264 38 38 GLU HG2 H 2.200 0.02 . 265 38 38 GLU CA C 58.258 0.2 . 266 38 38 GLU CB C 29.716 0.2 . 267 38 38 GLU CG C 36.662 0.2 . 268 38 38 GLU N N 115.484 0.2 . 269 39 39 GLU H H 7.381 0.02 . 270 39 39 GLU HB2 H 1.978 0.02 . 271 39 39 GLU HG2 H 2.207 0.02 . 272 39 39 GLU CA C 57.582 0.2 . 273 39 39 GLU CB C 30.764 0.2 . 274 39 39 GLU CG C 36.246 0.2 . 275 39 39 GLU N N 118.196 0.2 . 276 40 40 LEU H H 7.585 0.02 . 277 40 40 LEU CA C 52.073 0.2 . 278 40 40 LEU CB C 39.898 0.2 . 279 40 40 LEU N N 118.767 0.2 . 280 41 41 PRO HA H 4.597 0.02 . 281 41 41 PRO HB2 H 1.948 0.02 . 282 41 41 PRO HB3 H 2.367 0.02 . 283 41 41 PRO CA C 65.028 0.2 . 284 41 41 PRO CB C 32.122 0.2 . 285 41 41 PRO CG C 27.245 0.2 . 286 41 41 PRO CD C 41.128 0.2 . 287 42 42 ASP H H 8.361 0.02 . 288 42 42 ASP HA H 4.624 0.02 . 289 42 42 ASP HB2 H 2.816 0.02 . 290 42 42 ASP HB3 H 2.680 0.02 . 291 42 42 ASP CA C 53.883 0.2 . 292 42 42 ASP CB C 40.776 0.2 . 293 42 42 ASP N N 114.709 0.2 . 294 43 43 TYR H H 7.871 0.02 . 295 43 43 TYR HA H 3.720 0.02 . 296 43 43 TYR HB2 H 2.694 0.02 . 297 43 43 TYR CA C 62.349 0.2 . 298 43 43 TYR CB C 39.263 0.2 . 299 43 43 TYR N N 124.466 0.2 . 300 44 44 HIS H H 8.703 0.02 . 301 44 44 HIS HA H 4.427 0.02 . 302 44 44 HIS HB2 H 3.253 0.02 . 303 44 44 HIS HB3 H 3.043 0.02 . 304 44 44 HIS CA C 58.183 0.2 . 305 44 44 HIS CB C 29.253 0.2 . 306 44 44 HIS N N 114.631 0.2 . 307 45 45 THR H H 7.446 0.02 . 308 45 45 THR HA H 4.107 0.02 . 309 45 45 THR HG2 H 1.096 0.02 . 310 45 45 THR CA C 63.732 0.2 . 311 45 45 THR CB C 69.078 0.2 . 312 45 45 THR CG2 C 21.729 0.2 . 313 45 45 THR N N 113.031 0.2 . 314 46 46 VAL H H 7.244 0.02 . 315 46 46 VAL HA H 3.906 0.02 . 316 46 46 VAL HB H 1.929 0.02 . 317 46 46 VAL HG2 H 0.950 0.02 . 318 46 46 VAL CA C 64.057 0.2 . 319 46 46 VAL CB C 33.782 0.2 . 320 46 46 VAL CG2 C 21.144 0.2 . 321 46 46 VAL N N 120.501 0.2 . 322 47 47 ILE H H 8.033 0.02 . 323 47 47 ILE HA H 3.982 0.02 . 324 47 47 ILE HB H 1.235 0.02 . 325 47 47 ILE HG2 H 0.646 0.02 . 326 47 47 ILE HD1 H 0.477 0.02 . 327 47 47 ILE CA C 57.437 0.2 . 328 47 47 ILE CB C 35.105 0.2 . 329 47 47 ILE CG2 C 16.374 0.2 . 330 47 47 ILE CD1 C 9.996 0.2 . 331 47 47 ILE N N 121.637 0.2 . 332 48 48 LYS H H 7.967 0.02 . 333 48 48 LYS HA H 4.156 0.02 . 334 48 48 LYS HB2 H 1.781 0.02 . 335 48 48 LYS HB3 H 1.691 0.02 . 336 48 48 LYS HG2 H 1.403 0.02 . 337 48 48 LYS HD2 H 1.602 0.02 . 338 48 48 LYS HE2 H 2.912 0.02 . 339 48 48 LYS CA C 57.000 0.2 . 340 48 48 LYS CB C 32.759 0.2 . 341 48 48 LYS CG C 24.753 0.2 . 342 48 48 LYS CD C 28.554 0.2 . 343 48 48 LYS N N 124.243 0.2 . 344 49 49 ARG H H 8.246 0.02 . 345 49 49 ARG HA H 4.754 0.02 . 346 49 49 ARG HB2 H 1.627 0.02 . 347 49 49 ARG CA C 53.323 0.2 . 348 49 49 ARG CB C 30.631 0.2 . 349 49 49 ARG N N 118.590 0.2 . 350 50 50 PRO HA H 4.126 0.02 . 351 50 50 PRO HB3 H 1.892 0.02 . 352 50 50 PRO CA C 63.013 0.2 . 353 50 50 PRO CB C 32.758 0.2 . 354 50 50 PRO CG C 27.517 0.2 . 355 50 50 PRO CD C 51.065 0.2 . 356 51 51 VAL H H 8.260 0.02 . 357 51 51 VAL HA H 4.327 0.02 . 358 51 51 VAL HB H 1.842 0.02 . 359 51 51 VAL HG2 H 0.857 0.02 . 360 51 51 VAL CA C 62.587 0.2 . 361 51 51 VAL CB C 34.832 0.2 . 362 51 51 VAL CG2 C 21.046 0.2 . 363 51 51 VAL N N 120.644 0.2 . 364 52 52 ASP H H 7.311 0.02 . 365 52 52 ASP HA H 4.831 0.02 . 366 52 52 ASP HB2 H 2.437 0.02 . 367 52 52 ASP HB3 H 2.208 0.02 . 368 52 52 ASP CA C 53.352 0.2 . 369 52 52 ASP CB C 44.185 0.2 . 370 52 52 ASP N N 121.640 0.2 . 371 53 53 LEU H H 9.198 0.02 . 372 53 53 LEU CA C 58.591 0.2 . 373 53 53 LEU CB C 43.312 0.2 . 374 53 53 LEU CG C 26.371 0.2 . 375 53 53 LEU N N 117.277 0.2 . 376 54 54 SER H H 8.602 0.02 . 377 54 54 SER CA C 63.185 0.2 . 378 54 54 SER N N 118.173 0.2 . 379 55 55 SER HA H 4.308 0.02 . 380 55 55 SER HB2 H 3.948 0.02 . 381 55 55 SER CA C 61.996 0.2 . 382 55 55 SER CB C 62.179 0.2 . 383 56 56 ILE H H 8.219 0.02 . 384 56 56 ILE HA H 4.300 0.02 . 385 56 56 ILE HG2 H 0.821 0.02 . 386 56 56 ILE HD1 H 0.584 0.02 . 387 56 56 ILE CA C 65.420 0.2 . 388 56 56 ILE CB C 38.715 0.2 . 389 56 56 ILE CG2 C 17.354 0.2 . 390 56 56 ILE N N 125.099 0.2 . 391 57 57 ARG H H 8.444 0.02 . 392 57 57 ARG HA H 3.810 0.02 . 393 57 57 ARG HB2 H 2.056 0.02 . 394 57 57 ARG HB3 H 1.909 0.02 . 395 57 57 ARG HG2 H 1.543 0.02 . 396 57 57 ARG HD2 H 2.973 0.02 . 397 57 57 ARG HE H 7.010 0.02 . 398 57 57 ARG CA C 60.960 0.2 . 399 57 57 ARG CB C 30.303 0.2 . 400 57 57 ARG CG C 26.887 0.2 . 401 57 57 ARG CD C 43.576 0.2 . 402 57 57 ARG N N 120.283 0.2 . 403 58 58 ASP H H 8.278 0.02 . 404 58 58 ASP HA H 4.365 0.02 . 405 58 58 ASP HB2 H 2.791 0.02 . 406 58 58 ASP HB3 H 2.674 0.02 . 407 58 58 ASP CA C 57.577 0.2 . 408 58 58 ASP CB C 41.510 0.2 . 409 58 58 ASP N N 117.502 0.2 . 410 59 59 GLY H H 8.211 0.02 . 411 59 59 GLY HA2 H 3.867 0.02 . 412 59 59 GLY CA C 47.719 0.2 . 413 59 59 GLY N N 106.787 0.2 . 414 60 60 ILE H H 8.754 0.02 . 415 60 60 ILE HA H 4.107 0.02 . 416 60 60 ILE HB H 2.245 0.02 . 417 60 60 ILE HG2 H 1.060 0.02 . 418 60 60 ILE HD1 H 0.838 0.02 . 419 60 60 ILE CA C 66.269 0.2 . 420 60 60 ILE CB C 38.276 0.2 . 421 60 60 ILE CG2 C 19.105 0.2 . 422 60 60 ILE N N 122.919 0.2 . 423 61 61 GLU H H 8.312 0.02 . 424 61 61 GLU HA H 4.053 0.02 . 425 61 61 GLU HB2 H 2.265 0.02 . 426 61 61 GLU HB3 H 2.088 0.02 . 427 61 61 GLU HG2 H 2.506 0.02 . 428 61 61 GLU CA C 59.736 0.2 . 429 61 61 GLU CB C 29.789 0.2 . 430 61 61 GLU CG C 36.473 0.2 . 431 61 61 GLU N N 118.586 0.2 . 432 62 62 LYS H H 8.386 0.02 . 433 62 62 LYS HA H 4.265 0.02 . 434 62 62 LYS HB2 H 1.894 0.02 . 435 62 62 LYS HG2 H 1.553 0.02 . 436 62 62 LYS HE2 H 2.907 0.02 . 437 62 62 LYS CA C 56.972 0.2 . 438 62 62 LYS CB C 33.448 0.2 . 439 62 62 LYS CG C 25.799 0.2 . 440 62 62 LYS CD C 29.221 0.2 . 441 62 62 LYS CE C 42.446 0.2 . 442 62 62 LYS N N 116.410 0.2 . 443 63 63 GLY H H 7.794 0.02 . 444 63 63 GLY HA2 H 4.097 0.02 . 445 63 63 GLY CA C 46.529 0.2 . 446 63 63 GLY N N 108.369 0.2 . 447 64 64 THR H H 8.541 0.02 . 448 64 64 THR HA H 3.852 0.02 . 449 64 64 THR CA C 63.448 0.2 . 450 64 64 THR CB C 68.247 0.2 . 451 64 64 THR CG2 C 21.730 0.2 . 452 64 64 THR N N 112.951 0.2 . 453 65 65 TYR H H 7.191 0.02 . 454 65 65 TYR HA H 4.500 0.02 . 455 65 65 TYR HB2 H 2.643 0.02 . 456 65 65 TYR HB3 H 2.343 0.02 . 457 65 65 TYR CA C 57.596 0.2 . 458 65 65 TYR CB C 40.730 0.2 . 459 65 65 TYR N N 118.411 0.2 . 460 66 66 ALA H H 9.032 0.02 . 461 66 66 ALA HA H 3.917 0.02 . 462 66 66 ALA HB H 1.379 0.02 . 463 66 66 ALA CA C 52.734 0.2 . 464 66 66 ALA CB C 20.379 0.2 . 465 66 66 ALA N N 123.133 0.2 . 466 67 67 THR H H 7.363 0.02 . 467 67 67 THR HA H 4.839 0.02 . 468 67 67 THR HB H 4.545 0.02 . 469 67 67 THR HG2 H 1.125 0.02 . 470 67 67 THR CA C 60.855 0.2 . 471 67 67 THR CB C 73.682 0.2 . 472 67 67 THR CG2 C 21.798 0.2 . 473 67 67 THR N N 103.589 0.2 . 474 68 68 ASP H H 8.856 0.02 . 475 68 68 ASP HA H 4.411 0.02 . 476 68 68 ASP HB2 H 2.388 0.02 . 477 68 68 ASP CA C 57.405 0.2 . 478 68 68 ASP CB C 41.087 0.2 . 479 68 68 ASP N N 122.642 0.2 . 480 69 69 VAL H H 7.926 0.02 . 481 69 69 VAL HA H 3.475 0.02 . 482 69 69 VAL HB H 1.883 0.02 . 483 69 69 VAL HG2 H 0.796 0.02 . 484 69 69 VAL CA C 66.100 0.2 . 485 69 69 VAL CB C 31.814 0.2 . 486 69 69 VAL CG1 C 22.977 0.2 . 487 69 69 VAL CG2 C 20.932 0.2 . 488 69 69 VAL N N 120.437 0.2 . 489 70 70 ASP H H 7.752 0.02 . 490 70 70 ASP HA H 4.503 0.02 . 491 70 70 ASP HB2 H 3.016 0.02 . 492 70 70 ASP CA C 58.077 0.2 . 493 70 70 ASP CB C 41.656 0.2 . 494 70 70 ASP N N 120.353 0.2 . 495 71 71 VAL H H 6.981 0.02 . 496 71 71 VAL HA H 3.011 0.02 . 497 71 71 VAL HB H 2.343 0.02 . 498 71 71 VAL HG1 H 0.729 0.02 . 499 71 71 VAL HG2 H 0.565 0.02 . 500 71 71 VAL CA C 66.773 0.2 . 501 71 71 VAL CB C 31.227 0.2 . 502 71 71 VAL CG1 C 22.201 0.2 . 503 71 71 VAL CG2 C 20.714 0.2 . 504 71 71 VAL N N 120.008 0.2 . 505 72 72 GLN H H 7.853 0.02 . 506 72 72 GLN HA H 3.824 0.02 . 507 72 72 GLN HB2 H 2.219 0.02 . 508 72 72 GLN HG2 H 1.889 0.02 . 509 72 72 GLN HE21 H 6.980 0.02 . 510 72 72 GLN CA C 60.831 0.2 . 511 72 72 GLN CB C 29.890 0.2 . 512 72 72 GLN CG C 36.418 0.2 . 513 72 72 GLN N N 118.564 0.2 . 514 72 72 GLN NE2 N 108.592 0.2 . 515 73 73 ASN H H 9.084 0.02 . 516 73 73 ASN HA H 4.595 0.02 . 517 73 73 ASN HB2 H 3.053 0.02 . 518 73 73 ASN HB3 H 2.884 0.02 . 519 73 73 ASN HD21 H 7.980 0.02 . 520 73 73 ASN CA C 55.341 0.2 . 521 73 73 ASN CB C 37.472 0.2 . 522 73 73 ASN N N 117.665 0.2 . 523 73 73 ASN ND2 N 111.886 0.2 . 524 74 74 ASP H H 7.745 0.02 . 525 74 74 ASP HA H 4.845 0.02 . 526 74 74 ASP HB2 H 2.874 0.02 . 527 74 74 ASP HB3 H 2.515 0.02 . 528 74 74 ASP CA C 57.394 0.2 . 529 74 74 ASP CB C 39.400 0.2 . 530 74 74 ASP N N 124.148 0.2 . 531 75 75 VAL H H 7.963 0.02 . 532 75 75 VAL HA H 3.258 0.02 . 533 75 75 VAL HB H 2.277 0.02 . 534 75 75 VAL HG1 H 0.769 0.02 . 535 75 75 VAL HG2 H 0.547 0.02 . 536 75 75 VAL CA C 67.125 0.2 . 537 75 75 VAL CB C 31.047 0.2 . 538 75 75 VAL N N 121.980 0.2 . 539 76 76 ALA H H 8.502 0.02 . 540 76 76 ALA HA H 3.449 0.02 . 541 76 76 ALA HB H 1.568 0.02 . 542 76 76 ALA CB C 18.165 0.2 . 543 76 76 ALA N N 121.703 0.2 . 544 77 77 ARG H H 7.919 0.02 . 545 77 77 ARG CA C 58.957 0.2 . 546 77 77 ARG CB C 30.553 0.2 . 547 77 77 ARG CG C 27.499 0.2 . 548 77 77 ARG N N 119.928 0.2 . 549 78 78 MET H H 8.166 0.02 . 550 78 78 MET HA H 3.692 0.02 . 551 78 78 MET HB2 H 1.878 0.02 . 552 78 78 MET HG2 H 2.538 0.02 . 553 78 78 MET HE H 1.966 0.02 . 554 78 78 MET CA C 59.481 0.2 . 555 78 78 MET CB C 33.917 0.2 . 556 78 78 MET CG C 31.599 0.2 . 557 78 78 MET N N 120.866 0.2 . 558 79 79 ILE H H 7.837 0.02 . 559 79 79 ILE HA H 3.455 0.02 . 560 79 79 ILE HB H 1.665 0.02 . 561 79 79 ILE HD1 H 0.831 0.02 . 562 79 79 ILE CA C 66.144 0.2 . 563 79 79 ILE CB C 38.638 0.2 . 564 79 79 ILE CG1 C 29.085 0.2 . 565 79 79 ILE CG2 C 17.926 0.2 . 566 79 79 ILE N N 120.889 0.2 . 567 80 80 THR H H 8.586 0.02 . 568 80 80 THR HA H 4.222 0.02 . 569 80 80 THR HB H 3.726 0.02 . 570 80 80 THR HG2 H 1.234 0.02 . 571 80 80 THR CA C 67.350 0.2 . 572 80 80 THR CB C 68.820 0.2 . 573 80 80 THR CG2 C 22.245 0.2 . 574 80 80 THR N N 117.486 0.2 . 575 81 81 ASN H H 8.997 0.02 . 576 81 81 ASN HA H 4.285 0.02 . 577 81 81 ASN HB2 H 3.109 0.02 . 578 81 81 ASN HB3 H 2.678 0.02 . 579 81 81 ASN HD21 H 6.786 0.02 . 580 81 81 ASN CA C 55.398 0.2 . 581 81 81 ASN CB C 37.743 0.2 . 582 81 81 ASN N N 119.977 0.2 . 583 81 81 ASN ND2 N 110.367 0.2 . 584 82 82 ALA H H 7.204 0.02 . 585 82 82 ALA HA H 3.892 0.02 . 586 82 82 ALA HB H 1.774 0.02 . 587 82 82 ALA CA C 55.178 0.2 . 588 82 82 ALA CB C 18.984 0.2 . 589 82 82 ALA N N 120.346 0.2 . 590 83 83 LEU H H 7.918 0.02 . 591 83 83 LEU HA H 4.173 0.02 . 592 83 83 LEU HB2 H 2.011 0.02 . 593 83 83 LEU HB3 H 1.464 0.02 . 594 83 83 LEU HG H 1.634 0.02 . 595 83 83 LEU HD1 H 0.734 0.02 . 596 83 83 LEU HD2 H 0.138 0.02 . 597 83 83 LEU CA C 56.799 0.2 . 598 83 83 LEU CB C 41.423 0.2 . 599 83 83 LEU CG C 26.218 0.2 . 600 83 83 LEU CD1 C 23.762 0.2 . 601 83 83 LEU CD2 C 21.505 0.2 . 602 83 83 LEU N N 119.805 0.2 . 603 84 84 GLU H H 8.031 0.02 . 604 84 84 GLU HA H 4.210 0.02 . 605 84 84 GLU HB2 H 1.952 0.02 . 606 84 84 GLU HG2 H 2.376 0.02 . 607 84 84 GLU HG3 H 2.135 0.02 . 608 84 84 GLU CA C 57.965 0.2 . 609 84 84 GLU CB C 30.087 0.2 . 610 84 84 GLU CG C 36.280 0.2 . 611 84 84 GLU N N 117.889 0.2 . 612 85 85 TYR H H 8.179 0.02 . 613 85 85 TYR HA H 4.181 0.02 . 614 85 85 TYR HB2 H 2.937 0.02 . 615 85 85 TYR HB3 H 2.750 0.02 . 616 85 85 TYR CA C 61.138 0.2 . 617 85 85 TYR CB C 40.665 0.2 . 618 85 85 TYR N N 116.330 0.2 . 619 86 86 ASN H H 7.411 0.02 . 620 86 86 ASN HA H 4.457 0.02 . 621 86 86 ASN HB2 H 2.739 0.02 . 622 86 86 ASN CA C 53.712 0.2 . 623 86 86 ASN CB C 41.230 0.2 . 624 86 86 ASN N N 113.714 0.2 . 625 87 87 ALA H H 8.665 0.02 . 626 87 87 ALA HA H 4.080 0.02 . 627 87 87 ALA HB H 1.324 0.02 . 628 87 87 ALA CA C 51.768 0.2 . 629 87 87 ALA CB C 19.004 0.2 . 630 87 87 ALA N N 122.163 0.2 . 631 88 88 LYS H H 8.604 0.02 . 632 88 88 LYS HA H 2.170 0.02 . 633 88 88 LYS HB2 H 1.380 0.02 . 634 88 88 LYS HG2 H 1.047 0.02 . 635 88 88 LYS CA C 58.137 0.2 . 636 88 88 LYS CB C 31.508 0.2 . 637 88 88 LYS CG C 25.026 0.2 . 638 88 88 LYS CD C 29.609 0.2 . 639 88 88 LYS CE C 42.008 0.2 . 640 88 88 LYS N N 124.465 0.2 . 641 89 89 GLY H H 6.965 0.02 . 642 89 89 GLY HA2 H 3.762 0.02 . 643 89 89 GLY CA C 45.256 0.2 . 644 89 89 GLY N N 111.214 0.2 . 645 90 90 SER H H 8.005 0.02 . 646 90 90 SER HA H 4.524 0.02 . 647 90 90 SER HB2 H 4.142 0.02 . 648 90 90 SER CA C 58.340 0.2 . 649 90 90 SER CB C 66.082 0.2 . 650 90 90 SER N N 116.153 0.2 . 651 91 91 THR H H 8.945 0.02 . 652 91 91 THR HA H 3.892 0.02 . 653 91 91 THR HG2 H 1.074 0.02 . 654 91 91 THR CA C 65.645 0.2 . 655 91 91 THR CB C 67.919 0.2 . 656 91 91 THR CG2 C 22.195 0.2 . 657 91 91 THR N N 117.085 0.2 . 658 92 92 TRP H H 7.834 0.02 . 659 92 92 TRP HA H 4.266 0.02 . 660 92 92 TRP HB2 H 2.863 0.02 . 661 92 92 TRP HE1 H 8.608 0.02 . 662 92 92 TRP CA C 60.153 0.2 . 663 92 92 TRP CB C 28.800 0.2 . 664 92 92 TRP N N 121.387 0.2 . 665 92 92 TRP NE1 N 129.009 0.2 . 666 93 93 TYR H H 7.640 0.02 . 667 93 93 TYR HA H 3.729 0.02 . 668 93 93 TYR HB2 H 3.216 0.02 . 669 93 93 TYR HB3 H 2.675 0.02 . 670 93 93 TYR CA C 62.268 0.2 . 671 93 93 TYR CB C 40.168 0.2 . 672 93 93 TYR N N 120.162 0.2 . 673 94 94 GLN H H 8.427 0.02 . 674 94 94 GLN HA H 4.031 0.02 . 675 94 94 GLN HB2 H 2.201 0.02 . 676 94 94 GLN HE21 H 6.984 0.02 . 677 94 94 GLN CA C 59.147 0.2 . 678 94 94 GLN CB C 28.710 0.2 . 679 94 94 GLN N N 116.090 0.2 . 680 94 94 GLN NE2 N 108.606 0.2 . 681 95 95 GLU H H 8.154 0.02 . 682 95 95 GLU HA H 4.253 0.02 . 683 95 95 GLU HB2 H 2.216 0.02 . 684 95 95 GLU HB3 H 2.088 0.02 . 685 95 95 GLU HG2 H 2.384 0.02 . 686 95 95 GLU HG3 H 2.257 0.02 . 687 95 95 GLU CA C 59.384 0.2 . 688 95 95 GLU CB C 28.593 0.2 . 689 95 95 GLU CG C 34.914 0.2 . 690 95 95 GLU N N 120.712 0.2 . 691 96 96 ALA H H 8.293 0.02 . 692 96 96 ALA HA H 4.071 0.02 . 693 96 96 ALA HB H 1.473 0.02 . 694 96 96 ALA CA C 56.126 0.2 . 695 96 96 ALA CB C 17.660 0.2 . 696 96 96 ALA N N 122.972 0.2 . 697 97 97 MET H H 8.601 0.02 . 698 97 97 MET HA H 4.285 0.02 . 699 97 97 MET HB2 H 2.073 0.02 . 700 97 97 MET HG2 H 2.453 0.02 . 701 97 97 MET CA C 57.400 0.2 . 702 97 97 MET CB C 30.752 0.2 . 703 97 97 MET CG C 32.612 0.2 . 704 97 97 MET N N 118.331 0.2 . 705 98 98 SER H H 7.942 0.02 . 706 98 98 SER HA H 4.311 0.02 . 707 98 98 SER HB2 H 4.191 0.02 . 708 98 98 SER CA C 62.132 0.2 . 709 98 98 SER N N 116.634 0.2 . 710 99 99 PHE H H 8.679 0.02 . 711 99 99 PHE HA H 4.128 0.02 . 712 99 99 PHE HB2 H 3.566 0.02 . 713 99 99 PHE HB3 H 2.680 0.02 . 714 99 99 PHE CA C 61.828 0.2 . 715 99 99 PHE CB C 38.295 0.2 . 716 99 99 PHE N N 123.747 0.2 . 717 100 100 ARG H H 8.862 0.02 . 718 100 100 ARG HA H 4.119 0.02 . 719 100 100 ARG HB2 H 2.383 0.02 . 720 100 100 ARG HB3 H 1.930 0.02 . 721 100 100 ARG HG2 H 1.706 0.02 . 722 100 100 ARG HD2 H 3.180 0.02 . 723 100 100 ARG CA C 59.997 0.2 . 724 100 100 ARG CB C 29.728 0.2 . 725 100 100 ARG CG C 26.813 0.2 . 726 100 100 ARG N N 121.985 0.2 . 727 101 101 LYS H H 7.666 0.02 . 728 101 101 LYS HA H 4.250 0.02 . 729 101 101 LYS HB2 H 2.025 0.02 . 730 101 101 LYS HD2 H 1.688 0.02 . 731 101 101 LYS HE2 H 2.960 0.02 . 732 101 101 LYS CA C 58.261 0.2 . 733 101 101 LYS CB C 33.434 0.2 . 734 101 101 LYS CG C 25.228 0.2 . 735 101 101 LYS CD C 29.297 0.2 . 736 101 101 LYS CE C 42.459 0.2 . 737 101 101 LYS N N 115.069 0.2 . 738 102 102 THR H H 7.559 0.02 . 739 102 102 THR HA H 4.633 0.02 . 740 102 102 THR HB H 4.087 0.02 . 741 102 102 THR HG2 H 1.154 0.02 . 742 102 102 THR CA C 62.886 0.2 . 743 102 102 THR CB C 71.786 0.2 . 744 102 102 THR CG2 C 21.600 0.2 . 745 102 102 THR N N 108.543 0.2 . 746 103 103 TYR H H 8.795 0.02 . 747 103 103 TYR HA H 4.169 0.02 . 748 103 103 TYR HB2 H 3.133 0.02 . 749 103 103 TYR HB3 H 2.811 0.02 . 750 103 103 TYR CA C 62.414 0.2 . 751 103 103 TYR CB C 36.681 0.2 . 752 103 103 TYR N N 122.299 0.2 . 753 104 104 LEU H H 7.528 0.02 . 754 104 104 LEU HA H 3.644 0.02 . 755 104 104 LEU HB2 H 1.325 0.02 . 756 104 104 LEU HB3 H 1.008 0.02 . 757 104 104 LEU HD1 H 0.628 0.02 . 758 104 104 LEU HD2 H 0.446 0.02 . 759 104 104 LEU CA C 57.552 0.2 . 760 104 104 LEU CB C 40.322 0.2 . 761 104 104 LEU CD1 C 24.836 0.2 . 762 104 104 LEU CD2 C 23.133 0.2 . 763 104 104 LEU N N 121.843 0.2 . 764 105 105 ASP H H 7.788 0.02 . 765 105 105 ASP HA H 4.330 0.02 . 766 105 105 ASP HB2 H 2.702 0.02 . 767 105 105 ASP HB3 H 2.631 0.02 . 768 105 105 ASP CA C 57.395 0.2 . 769 105 105 ASP CB C 40.579 0.2 . 770 105 105 ASP N N 121.854 0.2 . 771 106 106 LEU H H 7.900 0.02 . 772 106 106 LEU HA H 3.982 0.02 . 773 106 106 LEU HB2 H 2.012 0.02 . 774 106 106 LEU HB3 H 1.464 0.02 . 775 106 106 LEU HG H 1.733 0.02 . 776 106 106 LEU HD2 H 0.730 0.02 . 777 106 106 LEU CA C 57.700 0.2 . 778 106 106 LEU CB C 41.721 0.2 . 779 106 106 LEU CG C 27.198 0.2 . 780 106 106 LEU CD1 C 24.645 0.2 . 781 106 106 LEU CD2 C 23.498 0.2 . 782 106 106 LEU N N 119.721 0.2 . 783 107 107 ALA H H 8.317 0.02 . 784 107 107 ALA HA H 3.016 0.02 . 785 107 107 ALA HB H 0.835 0.02 . 786 107 107 ALA CA C 55.647 0.2 . 787 107 107 ALA CB C 17.073 0.2 . 788 107 107 ALA N N 125.543 0.2 . 789 108 108 ARG H H 7.682 0.02 . 790 108 108 ARG HA H 3.954 0.02 . 791 108 108 ARG HB2 H 1.776 0.02 . 792 108 108 ARG HG2 H 1.418 0.02 . 793 108 108 ARG HD2 H 3.054 0.02 . 794 108 108 ARG HE H 7.232 0.02 . 795 108 108 ARG CA C 59.464 0.2 . 796 108 108 ARG CB C 29.618 0.2 . 797 108 108 ARG CG C 26.825 0.2 . 798 108 108 ARG N N 120.270 0.2 . 799 109 109 GLN H H 8.455 0.02 . 800 109 109 GLN HA H 3.979 0.02 . 801 109 109 GLN HB2 H 2.087 0.02 . 802 109 109 GLN HG2 H 2.526 0.02 . 803 109 109 GLN HG3 H 2.363 0.02 . 804 109 109 GLN HE21 H 7.356 0.02 . 805 109 109 GLN CA C 58.464 0.2 . 806 109 109 GLN CB C 28.978 0.2 . 807 109 109 GLN CG C 34.155 0.2 . 808 109 109 GLN N N 119.528 0.2 . 809 109 109 GLN NE2 N 111.662 0.2 . 810 110 110 SER H H 7.394 0.02 . 811 110 110 SER HA H 4.335 0.02 . 812 110 110 SER HB2 H 4.176 0.02 . 813 110 110 SER HB3 H 3.790 0.02 . 814 110 110 SER CA C 59.317 0.2 . 815 110 110 SER CB C 64.083 0.2 . 816 110 110 SER N N 113.069 0.2 . 817 111 111 GLY H H 7.579 0.02 . 818 111 111 GLY HA2 H 4.019 0.02 . 819 111 111 GLY HA3 H 3.662 0.02 . 820 111 111 GLY CA C 45.255 0.2 . 821 111 111 GLY N N 106.249 0.2 . stop_ save_